Dataset statistics
| Number of variables | 15 |
|---|---|
| Number of observations | 70 |
| Missing cells | 0 |
| Missing cells (%) | 0.0% |
| Duplicate rows | 0 |
| Duplicate rows (%) | 0.0% |
| Total size in memory | 8.3 KiB |
| Average record size in memory | 121.9 B |
Variable types
| Text | 1 |
|---|---|
| Numeric | 13 |
| Categorical | 1 |
APF is highly overall correlated with Hf(eV) and 4 other fields | High correlation |
EC(eV) is highly overall correlated with EV(eV) | High correlation |
EV(eV) is highly overall correlated with EC(eV) | High correlation |
Eg(PBE; eV) is highly overall correlated with c | High correlation |
Hf(eV) is highly overall correlated with APF and 3 other fields | High correlation |
V(angstrom^3-atom) is highly overall correlated with APF and 3 other fields | High correlation |
a(angstrom) is highly overall correlated with c and 2 other fields | High correlation |
c is highly overall correlated with APF and 2 other fields | High correlation |
d(angstrom) is highly overall correlated with a(angstrom) and 1 other fields | High correlation |
delta(d)(angstrom) is highly overall correlated with a(angstrom) and 1 other fields | High correlation |
phi(L)(eV) is highly overall correlated with phi(N)(eV) | High correlation |
phi(N)(eV) is highly overall correlated with APF and 4 other fields | High correlation |
phi(U)(eV) is highly overall correlated with APF and 3 other fields | High correlation |
c is highly imbalanced (74.5%) | Imbalance |
Reproduction
| Analysis started | 2023-12-05 12:33:01.657720 |
|---|---|
| Analysis finished | 2023-12-05 12:33:13.607716 |
| Duration | 11.95 seconds |
| Software version | ydata-profiling vv4.6.2 |
| Download configuration | config.json |
MXene
Text
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 692.0 B |
Length
| Max length | 15 |
|---|---|
| Median length | 14 |
| Mean length | 12.414286 |
| Min length | 9 |
Characters and Unicode
| Total characters | 869 |
|---|---|
| Distinct characters | 12 |
| Distinct categories | 3 ? |
| Distinct scripts | 2 ? |
| Distinct blocks | 1 ? |
The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.
Unique
| Unique | 68 ? |
|---|---|
| Unique (%) | 97.1% |
Sample
| 1st row | Y-Sc-C-Cl-OCN |
|---|---|
| 2nd row | Y-Sc-C-Br-OCN |
| 3rd row | Y-Sc-C-NCO-Cl |
| 4th row | Y-Sc-C-NCS-H |
| 5th row | Y-Sc-C-NCS-Cl |
| Value | Count | Frequency (%) |
| sc-y-c-cl-oh | 2 | 2.9% |
| sc-sc-c-cn-ncs | 1 | 1.4% |
| y-sc-c-nco-cl | 1 | 1.4% |
| y-sc-c-ncs-h | 1 | 1.4% |
| y-sc-c-ncs-cl | 1 | 1.4% |
| y-sc-c-ncs-br | 1 | 1.4% |
| y-sc-c-nco-oh | 1 | 1.4% |
| sc-y-c-cn-f | 1 | 1.4% |
| y-sc-c-ncs-oh | 1 | 1.4% |
| y-sc-c-br-ocn | 1 | 1.4% |
| Other values (59) | 59 |
Most occurring characters
| Value | Count | Frequency (%) |
| - | 280 | |
| C | 150 | |
| S | 97 | 11.2% |
| c | 85 | 9.8% |
| N | 57 | 6.6% |
| Y | 55 | 6.3% |
| O | 41 | 4.7% |
| H | 27 | 3.1% |
| l | 23 | 2.6% |
| B | 23 | 2.6% |
| Other values (2) | 31 | 3.6% |
Most occurring categories
| Value | Count | Frequency (%) |
| Uppercase Letter | 458 | |
| Dash Punctuation | 280 | |
| Lowercase Letter | 131 | 15.1% |
Most frequent character per category
Uppercase Letter
| Value | Count | Frequency (%) |
| C | 150 | |
| S | 97 | |
| N | 57 | 12.4% |
| Y | 55 | 12.0% |
| O | 41 | 9.0% |
| H | 27 | 5.9% |
| B | 23 | 5.0% |
| F | 8 | 1.7% |
Lowercase Letter
| Value | Count | Frequency (%) |
| c | 85 | |
| l | 23 | 17.6% |
| r | 23 | 17.6% |
Dash Punctuation
| Value | Count | Frequency (%) |
| - | 280 |
Most occurring scripts
| Value | Count | Frequency (%) |
| Latin | 589 | |
| Common | 280 |
Most frequent character per script
Latin
| Value | Count | Frequency (%) |
| C | 150 | |
| S | 97 | |
| c | 85 | |
| N | 57 | 9.7% |
| Y | 55 | 9.3% |
| O | 41 | 7.0% |
| H | 27 | 4.6% |
| l | 23 | 3.9% |
| B | 23 | 3.9% |
| r | 23 | 3.9% |
Common
| Value | Count | Frequency (%) |
| - | 280 |
Most occurring blocks
| Value | Count | Frequency (%) |
| ASCII | 869 |
Most frequent character per block
ASCII
| Value | Count | Frequency (%) |
| - | 280 | |
| C | 150 | |
| S | 97 | 11.2% |
| c | 85 | 9.8% |
| N | 57 | 6.6% |
| Y | 55 | 6.3% |
| O | 41 | 4.7% |
| H | 27 | 3.1% |
| l | 23 | 2.6% |
| B | 23 | 2.6% |
| Other values (2) | 31 | 3.6% |
Eg(GW; eV)
Real number (ℝ)
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 2.4334343 |
| Minimum | 1.5867 |
|---|---|
| Maximum | 3.3956 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 1.5867 |
|---|---|
| 5-th percentile | 1.842585 |
| Q1 | 2.28305 |
| median | 2.40125 |
| Q3 | 2.571175 |
| 95-th percentile | 3.26124 |
| Maximum | 3.3956 |
| Range | 1.8089 |
| Interquartile range (IQR) | 0.288125 |
Descriptive statistics
| Standard deviation | 0.37745806 |
|---|---|
| Coefficient of variation (CV) | 0.15511332 |
| Kurtosis | 1.0760585 |
| Mean | 2.4334343 |
| Median Absolute Deviation (MAD) | 0.15005 |
| Skewness | 0.497957 |
| Sum | 170.3404 |
| Variance | 0.14247459 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 2.392 | 2 | 2.9% |
| 3.3956 | 1 | 1.4% |
| 2.3367 | 1 | 1.4% |
| 2.2844 | 1 | 1.4% |
| 2.2863 | 1 | 1.4% |
| 2.2938 | 1 | 1.4% |
| 2.2946 | 1 | 1.4% |
| 2.3178 | 1 | 1.4% |
| 2.3317 | 1 | 1.4% |
| 2.3368 | 1 | 1.4% |
| Other values (59) | 59 |
| Value | Count | Frequency (%) |
| 1.5867 | 1 | |
| 1.6075 | 1 | |
| 1.7317 | 1 | |
| 1.8312 | 1 | |
| 1.8565 | 1 | |
| 1.8966 | 1 | |
| 1.9271 | 1 | |
| 1.9891 | 1 | |
| 2.0114 | 1 | |
| 2.0275 | 1 |
| Value | Count | Frequency (%) |
| 3.3956 | 1 | |
| 3.3659 | 1 | |
| 3.3072 | 1 | |
| 3.2661 | 1 | |
| 3.2553 | 1 | |
| 3.2203 | 1 | |
| 2.9966 | 1 | |
| 2.7883 | 1 | |
| 2.787 | 1 | |
| 2.6927 | 1 |
Eg(PBE; eV)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 67 |
|---|---|
| Distinct (%) | 95.7% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 0.93646429 |
| Minimum | 0.7024 |
|---|---|
| Maximum | 1.3781 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 0.7024 |
|---|---|
| 5-th percentile | 0.7465 |
| Q1 | 0.844375 |
| median | 0.9251 |
| Q3 | 1.02625 |
| 95-th percentile | 1.15781 |
| Maximum | 1.3781 |
| Range | 0.6757 |
| Interquartile range (IQR) | 0.181875 |
Descriptive statistics
| Standard deviation | 0.13208056 |
|---|---|
| Coefficient of variation (CV) | 0.14104175 |
| Kurtosis | 0.85128463 |
| Mean | 0.93646429 |
| Median Absolute Deviation (MAD) | 0.0944 |
| Skewness | 0.66718998 |
| Sum | 65.5525 |
| Variance | 0.017445275 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 1.0334 | 2 | 2.9% |
| 0.9262 | 2 | 2.9% |
| 0.8981 | 2 | 2.9% |
| 1.1194 | 1 | 1.4% |
| 0.8938 | 1 | 1.4% |
| 1.057 | 1 | 1.4% |
| 1.017 | 1 | 1.4% |
| 0.79 | 1 | 1.4% |
| 0.7528 | 1 | 1.4% |
| 0.8756 | 1 | 1.4% |
| Other values (57) | 57 |
| Value | Count | Frequency (%) |
| 0.7024 | 1 | |
| 0.7184 | 1 | |
| 0.7363 | 1 | |
| 0.742 | 1 | |
| 0.752 | 1 | |
| 0.7523 | 1 | |
| 0.7528 | 1 | |
| 0.768 | 1 | |
| 0.7887 | 1 | |
| 0.79 | 1 |
| Value | Count | Frequency (%) |
| 1.3781 | 1 | |
| 1.2592 | 1 | |
| 1.1849 | 1 | |
| 1.1741 | 1 | |
| 1.1379 | 1 | |
| 1.1194 | 1 | |
| 1.1042 | 1 | |
| 1.0857 | 1 | |
| 1.0744 | 1 | |
| 1.057 | 1 |
phi(L)(eV)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 2.0187471 |
| Minimum | -1.0978 |
|---|---|
| Maximum | 4.6033 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 4 |
| Negative (%) | 5.7% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | -1.0978 |
|---|---|
| 5-th percentile | 0.086975 |
| Q1 | 1.401725 |
| median | 2.01525 |
| Q3 | 3.0736 |
| 95-th percentile | 3.66273 |
| Maximum | 4.6033 |
| Range | 5.7011 |
| Interquartile range (IQR) | 1.671875 |
Descriptive statistics
| Standard deviation | 1.2150407 |
|---|---|
| Coefficient of variation (CV) | 0.60187861 |
| Kurtosis | -0.29881322 |
| Mean | 2.0187471 |
| Median Absolute Deviation (MAD) | 0.9627 |
| Skewness | -0.33914182 |
| Sum | 141.3123 |
| Variance | 1.4763239 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 0.4122 | 2 | 2.9% |
| 1.8022 | 1 | 1.4% |
| 3.2009 | 1 | 1.4% |
| 3.6393 | 1 | 1.4% |
| 1.9165 | 1 | 1.4% |
| 3.6819 | 1 | 1.4% |
| 3.1326 | 1 | 1.4% |
| 3.1819 | 1 | 1.4% |
| 2.1713 | 1 | 1.4% |
| 1.5756 | 1 | 1.4% |
| Other values (59) | 59 |
| Value | Count | Frequency (%) |
| -1.0978 | 1 | |
| -0.7587 | 1 | |
| -0.2694 | 1 | |
| -0.0658 | 1 | |
| 0.2737 | 1 | |
| 0.4122 | 2 | |
| 0.4702 | 1 | |
| 0.4785 | 1 | |
| 0.5124 | 1 | |
| 0.5764 | 1 |
| Value | Count | Frequency (%) |
| 4.6033 | 1 | |
| 4.2489 | 1 | |
| 3.8917 | 1 | |
| 3.6819 | 1 | |
| 3.6393 | 1 | |
| 3.4288 | 1 | |
| 3.4256 | 1 | |
| 3.3325 | 1 | |
| 3.3014 | 1 | |
| 3.2331 | 1 |
phi(U)(eV)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 4.59937 |
| Minimum | 1.5546 |
|---|---|
| Maximum | 8.3334 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 1.5546 |
|---|---|
| 5-th percentile | 2.77035 |
| Q1 | 3.277975 |
| median | 4.57295 |
| Q3 | 5.66635 |
| 95-th percentile | 6.90117 |
| Maximum | 8.3334 |
| Range | 6.7788 |
| Interquartile range (IQR) | 2.388375 |
Descriptive statistics
| Standard deviation | 1.4194353 |
|---|---|
| Coefficient of variation (CV) | 0.30861515 |
| Kurtosis | -0.30922247 |
| Mean | 4.59937 |
| Median Absolute Deviation (MAD) | 1.28175 |
| Skewness | 0.30655178 |
| Sum | 321.9559 |
| Variance | 2.0147965 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 4.7798 | 2 | 2.9% |
| 2.6655 | 1 | 1.4% |
| 3.2717 | 1 | 1.4% |
| 5.0062 | 1 | 1.4% |
| 3.2721 | 1 | 1.4% |
| 5.0224 | 1 | 1.4% |
| 5.8906 | 1 | 1.4% |
| 5.8591 | 1 | 1.4% |
| 6.3336 | 1 | 1.4% |
| 7.1547 | 1 | 1.4% |
| Other values (59) | 59 |
| Value | Count | Frequency (%) |
| 1.5546 | 1 | |
| 1.8893 | 1 | |
| 2.6655 | 1 | |
| 2.7267 | 1 | |
| 2.8237 | 1 | |
| 2.8531 | 1 | |
| 2.9504 | 1 | |
| 2.9925 | 1 | |
| 3.114 | 1 | |
| 3.1195 | 1 |
| Value | Count | Frequency (%) |
| 8.3334 | 1 | |
| 7.5205 | 1 | |
| 7.5012 | 1 | |
| 7.1547 | 1 | |
| 6.5913 | 1 | |
| 6.4349 | 1 | |
| 6.3941 | 1 | |
| 6.3336 | 1 | |
| 6.3305 | 1 | |
| 6.3285 | 1 |
d(angstrom)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 67 |
|---|---|
| Distinct (%) | 95.7% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 2.4062671 |
| Minimum | 2.2806 |
|---|---|
| Maximum | 2.5706 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 2.2806 |
|---|---|
| 5-th percentile | 2.307295 |
| Q1 | 2.3412 |
| median | 2.4223 |
| Q3 | 2.440075 |
| 95-th percentile | 2.535525 |
| Maximum | 2.5706 |
| Range | 0.29 |
| Interquartile range (IQR) | 0.098875 |
Descriptive statistics
| Standard deviation | 0.066480931 |
|---|---|
| Coefficient of variation (CV) | 0.027628242 |
| Kurtosis | -0.1746171 |
| Mean | 2.4062671 |
| Median Absolute Deviation (MAD) | 0.0296 |
| Skewness | 0.14302152 |
| Sum | 168.4387 |
| Variance | 0.0044197141 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 2.4285 | 2 | 2.9% |
| 2.4407 | 2 | 2.9% |
| 2.4223 | 2 | 2.9% |
| 2.4302 | 1 | 1.4% |
| 2.4553 | 1 | 1.4% |
| 2.4244 | 1 | 1.4% |
| 2.4316 | 1 | 1.4% |
| 2.4225 | 1 | 1.4% |
| 2.4253 | 1 | 1.4% |
| 2.424 | 1 | 1.4% |
| Other values (57) | 57 |
| Value | Count | Frequency (%) |
| 2.2806 | 1 | |
| 2.2973 | 1 | |
| 2.3052 | 1 | |
| 2.3059 | 1 | |
| 2.309 | 1 | |
| 2.3097 | 1 | |
| 2.3101 | 1 | |
| 2.3117 | 1 | |
| 2.3164 | 1 | |
| 2.3189 | 1 |
| Value | Count | Frequency (%) |
| 2.5706 | 1 | |
| 2.5568 | 1 | |
| 2.5379 | 1 | |
| 2.5362 | 1 | |
| 2.5347 | 1 | |
| 2.507 | 1 | |
| 2.4873 | 1 | |
| 2.4671 | 1 | |
| 2.4558 | 1 | |
| 2.4553 | 1 |
delta(d)(angstrom)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 66 |
|---|---|
| Distinct (%) | 94.3% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 0.03293 |
| Minimum | -0.1108 |
|---|---|
| Maximum | 0.2643 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 48 |
| Negative (%) | 68.6% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | -0.1108 |
|---|---|
| 5-th percentile | -0.07746 |
| Q1 | -0.055275 |
| median | -0.04155 |
| Q3 | 0.203625 |
| 95-th percentile | 0.237245 |
| Maximum | 0.2643 |
| Range | 0.3751 |
| Interquartile range (IQR) | 0.2589 |
Descriptive statistics
| Standard deviation | 0.12948281 |
|---|---|
| Coefficient of variation (CV) | 3.9320622 |
| Kurtosis | -1.295687 |
| Mean | 0.03293 |
| Median Absolute Deviation (MAD) | 0.02375 |
| Skewness | 0.78973427 |
| Sum | 2.3051 |
| Variance | 0.016765798 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| -0.0434 | 2 | 2.9% |
| 0.2351 | 2 | 2.9% |
| -0.0617 | 2 | 2.9% |
| -0.0763 | 2 | 2.9% |
| 0.2174 | 1 | 1.4% |
| -0.0526 | 1 | 1.4% |
| -0.0435 | 1 | 1.4% |
| -0.0463 | 1 | 1.4% |
| -0.045 | 1 | 1.4% |
| -0.0512 | 1 | 1.4% |
| Other values (56) | 56 |
| Value | Count | Frequency (%) |
| -0.1108 | 1 | |
| -0.097 | 1 | |
| -0.0881 | 1 | |
| -0.078 | 1 | |
| -0.0768 | 1 | |
| -0.0763 | 2 | |
| -0.0748 | 1 | |
| -0.0733 | 1 | |
| -0.0725 | 1 | |
| -0.0658 | 1 |
| Value | Count | Frequency (%) |
| 0.2643 | 1 | |
| 0.2476 | 1 | |
| 0.2396 | 1 | |
| 0.239 | 1 | |
| 0.2351 | 2 | |
| 0.2348 | 1 | |
| 0.2331 | 1 | |
| 0.2285 | 1 | |
| 0.2259 | 1 | |
| 0.2254 | 1 |
V(angstrom^3-atom)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 52 |
|---|---|
| Distinct (%) | 74.3% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 46.829944 |
| Minimum | 29.6856 |
|---|---|
| Maximum | 69.3866 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 29.6856 |
|---|---|
| 5-th percentile | 30.28584 |
| Q1 | 38.41925 |
| median | 44.84955 |
| Q3 | 56.230075 |
| 95-th percentile | 64.566965 |
| Maximum | 69.3866 |
| Range | 39.701 |
| Interquartile range (IQR) | 17.810825 |
Descriptive statistics
| Standard deviation | 10.971596 |
|---|---|
| Coefficient of variation (CV) | 0.23428591 |
| Kurtosis | -1.1065051 |
| Mean | 46.829944 |
| Median Absolute Deviation (MAD) | 9.54735 |
| Skewness | 0.20526569 |
| Sum | 3278.0961 |
| Variance | 120.37592 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 60.3739 | 9 | 12.9% |
| 50.3116 | 5 | 7.1% |
| 43.1242 | 4 | 5.7% |
| 33.5411 | 3 | 4.3% |
| 37.7337 | 2 | 2.9% |
| 36.5156 | 1 | 1.4% |
| 30.3151 | 1 | 1.4% |
| 55.492 | 1 | 1.4% |
| 56.459 | 1 | 1.4% |
| 45.009 | 1 | 1.4% |
| Other values (42) | 42 |
| Value | Count | Frequency (%) |
| 29.6856 | 1 | 1.4% |
| 30.0594 | 1 | 1.4% |
| 30.0753 | 1 | 1.4% |
| 30.2619 | 1 | 1.4% |
| 30.3151 | 1 | 1.4% |
| 31.9512 | 1 | 1.4% |
| 32.8645 | 1 | 1.4% |
| 33.4194 | 1 | 1.4% |
| 33.5411 | 3 | |
| 33.9854 | 1 | 1.4% |
| Value | Count | Frequency (%) |
| 69.3866 | 1 | 1.4% |
| 67.0229 | 1 | 1.4% |
| 65.7179 | 1 | 1.4% |
| 64.6445 | 1 | 1.4% |
| 64.4722 | 1 | 1.4% |
| 60.4362 | 1 | 1.4% |
| 60.3739 | 9 | |
| 56.8957 | 1 | 1.4% |
| 56.789 | 1 | 1.4% |
| 56.459 | 1 | 1.4% |
APF
Real number (ℝ)
HIGH CORRELATION
| Distinct | 67 |
|---|---|
| Distinct (%) | 95.7% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 0.33379429 |
| Minimum | 0.2222 |
|---|---|
| Maximum | 0.5371 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 0.2222 |
|---|---|
| 5-th percentile | 0.226145 |
| Q1 | 0.269525 |
| median | 0.3139 |
| Q3 | 0.3764 |
| 95-th percentile | 0.489895 |
| Maximum | 0.5371 |
| Range | 0.3149 |
| Interquartile range (IQR) | 0.106875 |
Descriptive statistics
| Standard deviation | 0.080266958 |
|---|---|
| Coefficient of variation (CV) | 0.24046834 |
| Kurtosis | -0.45617236 |
| Mean | 0.33379429 |
| Median Absolute Deviation (MAD) | 0.05565 |
| Skewness | 0.63066136 |
| Sum | 23.3656 |
| Variance | 0.0064427846 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 0.3113 | 3 | 4.3% |
| 0.3661 | 2 | 2.9% |
| 0.2921 | 1 | 1.4% |
| 0.2316 | 1 | 1.4% |
| 0.4894 | 1 | 1.4% |
| 0.3069 | 1 | 1.4% |
| 0.2226 | 1 | 1.4% |
| 0.2233 | 1 | 1.4% |
| 0.3076 | 1 | 1.4% |
| 0.2262 | 1 | 1.4% |
| Other values (57) | 57 |
| Value | Count | Frequency (%) |
| 0.2222 | 1 | |
| 0.2226 | 1 | |
| 0.2233 | 1 | |
| 0.2261 | 1 | |
| 0.2262 | 1 | |
| 0.2264 | 1 | |
| 0.2316 | 1 | |
| 0.2543 | 1 | |
| 0.2546 | 1 | |
| 0.2551 | 1 |
| Value | Count | Frequency (%) |
| 0.5371 | 1 | |
| 0.4936 | 1 | |
| 0.4933 | 1 | |
| 0.4903 | 1 | |
| 0.4894 | 1 | |
| 0.4837 | 1 | |
| 0.464 | 1 | |
| 0.4358 | 1 | |
| 0.4286 | 1 | |
| 0.4278 | 1 |
EV(eV)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | -5.1034443 |
| Minimum | -9.7649 |
|---|---|
| Maximum | -2.0598 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 70 |
| Negative (%) | 100.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | -9.7649 |
|---|---|
| 5-th percentile | -8.242595 |
| Q1 | -5.890425 |
| median | -5.2562 |
| Q3 | -3.8024 |
| 95-th percentile | -2.672925 |
| Maximum | -2.0598 |
| Range | 7.7051 |
| Interquartile range (IQR) | 2.088025 |
Descriptive statistics
| Standard deviation | 1.7533843 |
|---|---|
| Coefficient of variation (CV) | -0.34356882 |
| Kurtosis | -0.14263031 |
| Mean | -5.1034443 |
| Median Absolute Deviation (MAD) | 1.2751 |
| Skewness | -0.52675764 |
| Sum | -357.2411 |
| Variance | 3.0743565 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| -2.7664 | 2 | 2.9% |
| -5.2978 | 1 | 1.4% |
| -3.9975 | 1 | 1.4% |
| -5.7805 | 1 | 1.4% |
| -3.9051 | 1 | 1.4% |
| -5.7934 | 1 | 1.4% |
| -3.6592 | 1 | 1.4% |
| -3.6134 | 1 | 1.4% |
| -5.6868 | 1 | 1.4% |
| -7.1885 | 1 | 1.4% |
| Other values (59) | 59 |
| Value | Count | Frequency (%) |
| -9.7649 | 1 | |
| -9.2811 | 1 | |
| -8.7583 | 1 | |
| -8.4716 | 1 | |
| -7.9627 | 1 | |
| -7.7459 | 1 | |
| -7.6261 | 1 | |
| -7.4028 | 1 | |
| -7.1885 | 1 | |
| -7.1331 | 1 |
| Value | Count | Frequency (%) |
| -2.0598 | 1 | |
| -2.4807 | 1 | |
| -2.5465 | 1 | |
| -2.6538 | 1 | |
| -2.6963 | 1 | |
| -2.7664 | 2 | |
| -2.8827 | 1 | |
| -2.9442 | 1 | |
| -3.1205 | 1 | |
| -3.1444 | 1 |
EC(eV)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | -4.1669743 |
| Minimum | -9.0625 |
|---|---|
| Maximum | -1.2593 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 70 |
| Negative (%) | 100.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | -9.0625 |
|---|---|
| 5-th percentile | -7.28688 |
| Q1 | -4.959825 |
| median | -4.2719 |
| Q3 | -2.93915 |
| 95-th percentile | -1.76467 |
| Maximum | -1.2593 |
| Range | 7.8032 |
| Interquartile range (IQR) | 2.020675 |
Descriptive statistics
| Standard deviation | 1.7369178 |
|---|---|
| Coefficient of variation (CV) | -0.41682951 |
| Kurtosis | 0.02700062 |
| Mean | -4.1669743 |
| Median Absolute Deviation (MAD) | 1.1997 |
| Skewness | -0.60098841 |
| Sum | -291.6882 |
| Variance | 3.0168836 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| -1.8683 | 2 | 2.9% |
| -4.4069 | 1 | 1.4% |
| -3.1037 | 1 | 1.4% |
| -4.7235 | 1 | 1.4% |
| -2.9789 | 1 | 1.4% |
| -4.776 | 1 | 1.4% |
| -2.8692 | 1 | 1.4% |
| -2.8606 | 1 | 1.4% |
| -4.8112 | 1 | 1.4% |
| -6.1857 | 1 | 1.4% |
| Other values (59) | 59 |
| Value | Count | Frequency (%) |
| -9.0625 | 1 | |
| -8.3538 | 1 | |
| -7.6829 | 1 | |
| -7.4991 | 1 | |
| -7.0275 | 1 | |
| -6.9417 | 1 | |
| -6.7485 | 1 | |
| -6.3604 | 1 | |
| -6.2069 | 1 | |
| -6.1857 | 1 |
| Value | Count | Frequency (%) |
| -1.2593 | 1 | |
| -1.5386 | 1 | |
| -1.688 | 1 | |
| -1.7149 | 1 | |
| -1.8255 | 1 | |
| -1.8683 | 2 | |
| -1.9632 | 1 | |
| -2.1762 | 1 | |
| -2.3024 | 1 | |
| -2.3552 | 1 |
phi(N)(eV)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 3.3094614 |
| Minimum | 1.5544 |
|---|---|
| Maximum | 4.9302 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 1.5544 |
|---|---|
| 5-th percentile | 2.016885 |
| Q1 | 2.6247 |
| median | 3.23395 |
| Q3 | 4.135375 |
| 95-th percentile | 4.624385 |
| Maximum | 4.9302 |
| Range | 3.3758 |
| Interquartile range (IQR) | 1.510675 |
Descriptive statistics
| Standard deviation | 0.8435669 |
|---|---|
| Coefficient of variation (CV) | 0.25489552 |
| Kurtosis | -0.93228442 |
| Mean | 3.3094614 |
| Median Absolute Deviation (MAD) | 0.63795 |
| Skewness | 0.0079822227 |
| Sum | 231.6623 |
| Variance | 0.71160511 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 2.596 | 2 | 2.9% |
| 2.2346 | 1 | 1.4% |
| 3.2363 | 1 | 1.4% |
| 4.3228 | 1 | 1.4% |
| 2.5943 | 1 | 1.4% |
| 4.3521 | 1 | 1.4% |
| 4.5116 | 1 | 1.4% |
| 4.5205 | 1 | 1.4% |
| 4.2524 | 1 | 1.4% |
| 4.3651 | 1 | 1.4% |
| Other values (59) | 59 |
| Value | Count | Frequency (%) |
| 1.5544 | 1 | |
| 1.6943 | 1 | |
| 1.8545 | 1 | |
| 1.9569 | 1 | |
| 2.0902 | 1 | |
| 2.1651 | 1 | |
| 2.192 | 1 | |
| 2.2346 | 1 | |
| 2.2957 | 1 | |
| 2.3935 | 1 |
| Value | Count | Frequency (%) |
| 4.9302 | 1 | |
| 4.6635 | 1 | |
| 4.6598 | 1 | |
| 4.6418 | 1 | |
| 4.6031 | 1 | |
| 4.5205 | 1 | |
| 4.5116 | 1 | |
| 4.3651 | 1 | |
| 4.3521 | 1 | |
| 4.3228 | 1 |
a(angstrom)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 68 |
|---|---|
| Distinct (%) | 97.1% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | 3.5174529 |
| Minimum | 3.2937 |
|---|---|
| Maximum | 3.7748 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 0 |
| Negative (%) | 0.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | 3.2937 |
|---|---|
| 5-th percentile | 3.35687 |
| Q1 | 3.447125 |
| median | 3.53095 |
| Q3 | 3.5754 |
| 95-th percentile | 3.715935 |
| Maximum | 3.7748 |
| Range | 0.4811 |
| Interquartile range (IQR) | 0.128275 |
Descriptive statistics
| Standard deviation | 0.10252224 |
|---|---|
| Coefficient of variation (CV) | 0.029146729 |
| Kurtosis | -0.028508284 |
| Mean | 3.5174529 |
| Median Absolute Deviation (MAD) | 0.059 |
| Skewness | 0.095637584 |
| Sum | 246.2217 |
| Variance | 0.010510811 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| 3.5318 | 2 | 2.9% |
| 3.5099 | 2 | 2.9% |
| 3.5492 | 1 | 1.4% |
| 3.5367 | 1 | 1.4% |
| 3.563 | 1 | 1.4% |
| 3.5301 | 1 | 1.4% |
| 3.5358 | 1 | 1.4% |
| 3.535 | 1 | 1.4% |
| 3.4191 | 1 | 1.4% |
| 3.6109 | 1 | 1.4% |
| Other values (58) | 58 |
| Value | Count | Frequency (%) |
| 3.2937 | 1 | |
| 3.3274 | 1 | |
| 3.3497 | 1 | |
| 3.3548 | 1 | |
| 3.3594 | 1 | |
| 3.3608 | 1 | |
| 3.3616 | 1 | |
| 3.3754 | 1 | |
| 3.3794 | 1 | |
| 3.385 | 1 |
| Value | Count | Frequency (%) |
| 3.7748 | 1 | |
| 3.7323 | 1 | |
| 3.7238 | 1 | |
| 3.7185 | 1 | |
| 3.7128 | 1 | |
| 3.6542 | 1 | |
| 3.639 | 1 | |
| 3.6267 | 1 | |
| 3.6216 | 1 | |
| 3.6109 | 1 |
c
Categorical
HIGH CORRELATION IMBALANCE
| Distinct | 2 |
|---|---|
| Distinct (%) | 2.9% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Memory size | 692.0 B |
| 1 | |
|---|---|
| 0 | 3 |
Length
| Max length | 1 |
|---|---|
| Median length | 1 |
| Mean length | 1 |
| Min length | 1 |
Characters and Unicode
| Total characters | 70 |
|---|---|
| Distinct characters | 2 |
| Distinct categories | 1 ? |
| Distinct scripts | 1 ? |
| Distinct blocks | 1 ? |
The Unicode Standard assigns character properties to each code point, which can be used to analyse textual variables.
Unique
| Unique | 0 ? |
|---|---|
| Unique (%) | 0.0% |
Sample
| 1st row | 1 |
|---|---|
| 2nd row | 1 |
| 3rd row | 1 |
| 4th row | 1 |
| 5th row | 1 |
Common Values
| Value | Count | Frequency (%) |
| 1 | 67 | |
| 0 | 3 | 4.3% |
Length
Histogram of lengths of the category
Common Values (Plot)
| Value | Count | Frequency (%) |
| 1 | 67 | |
| 0 | 3 | 4.3% |
Most occurring characters
| Value | Count | Frequency (%) |
| 1 | 67 | |
| 0 | 3 | 4.3% |
Most occurring categories
| Value | Count | Frequency (%) |
| Decimal Number | 70 |
Most frequent character per category
Decimal Number
| Value | Count | Frequency (%) |
| 1 | 67 | |
| 0 | 3 | 4.3% |
Most occurring scripts
| Value | Count | Frequency (%) |
| Common | 70 |
Most frequent character per script
Common
| Value | Count | Frequency (%) |
| 1 | 67 | |
| 0 | 3 | 4.3% |
Most occurring blocks
| Value | Count | Frequency (%) |
| ASCII | 70 |
Most frequent character per block
ASCII
| Value | Count | Frequency (%) |
| 1 | 67 | |
| 0 | 3 | 4.3% |
Hf(eV)
Real number (ℝ)
HIGH CORRELATION
| Distinct | 69 |
|---|---|
| Distinct (%) | 98.6% |
| Missing | 0 |
| Missing (%) | 0.0% |
| Infinite | 0 |
| Infinite (%) | 0.0% |
| Mean | -10.691054 |
| Minimum | -17.5949 |
|---|---|
| Maximum | -6.3118 |
| Zeros | 0 |
| Zeros (%) | 0.0% |
| Negative | 70 |
| Negative (%) | 100.0% |
| Memory size | 692.0 B |
Quantile statistics
| Minimum | -17.5949 |
|---|---|
| 5-th percentile | -15.80852 |
| Q1 | -12.656275 |
| median | -10.6437 |
| Q3 | -8.430825 |
| 95-th percentile | -6.529105 |
| Maximum | -6.3118 |
| Range | 11.2831 |
| Interquartile range (IQR) | 4.22545 |
Descriptive statistics
| Standard deviation | 2.9291031 |
|---|---|
| Coefficient of variation (CV) | -0.27397701 |
| Kurtosis | -0.65941736 |
| Mean | -10.691054 |
| Median Absolute Deviation (MAD) | 2.0778 |
| Skewness | -0.35164199 |
| Sum | -748.3738 |
| Variance | 8.579645 |
| Monotonicity | Not monotonic |
Histogram with fixed size bins (bins=50)
| Value | Count | Frequency (%) |
| -11.0999 | 2 | 2.9% |
| -6.6218 | 1 | 1.4% |
| -6.9571 | 1 | 1.4% |
| -13.8827 | 1 | 1.4% |
| -6.4954 | 1 | 1.4% |
| -13.8442 | 1 | 1.4% |
| -15.5024 | 1 | 1.4% |
| -15.5058 | 1 | 1.4% |
| -11.2764 | 1 | 1.4% |
| -8.5272 | 1 | 1.4% |
| Other values (59) | 59 |
| Value | Count | Frequency (%) |
| -17.5949 | 1 | |
| -16.6708 | 1 | |
| -16.349 | 1 | |
| -16.0562 | 1 | |
| -15.5058 | 1 | |
| -15.5024 | 1 | |
| -15.4334 | 1 | |
| -14.2904 | 1 | |
| -14.2635 | 1 | |
| -14.1302 | 1 |
| Value | Count | Frequency (%) |
| -6.3118 | 1 | |
| -6.414 | 1 | |
| -6.4854 | 1 | |
| -6.4954 | 1 | |
| -6.5703 | 1 | |
| -6.6218 | 1 | |
| -6.9516 | 1 | |
| -6.9571 | 1 | |
| -7.0017 | 1 | |
| -7.0143 | 1 |
| APF | EC(eV) | EV(eV) | Eg(GW; eV) | Eg(PBE; eV) | Hf(eV) | V(angstrom^3-atom) | a(angstrom) | c | d(angstrom) | delta(d)(angstrom) | phi(L)(eV) | phi(N)(eV) | phi(U)(eV) | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| APF | 1.000 | -0.078 | -0.081 | 0.284 | -0.242 | -0.769 | -0.936 | 0.069 | 0.741 | 0.121 | -0.100 | 0.141 | 0.716 | 0.747 |
| EC(eV) | -0.078 | 1.000 | 0.995 | -0.272 | -0.154 | 0.179 | 0.122 | 0.280 | 0.000 | 0.290 | -0.330 | -0.332 | -0.416 | -0.177 |
| EV(eV) | -0.081 | 0.995 | 1.000 | -0.269 | -0.225 | 0.181 | 0.115 | 0.276 | 0.000 | 0.283 | -0.325 | -0.323 | -0.407 | -0.175 |
| Eg(GW; eV) | 0.284 | -0.272 | -0.269 | 1.000 | -0.041 | -0.115 | -0.411 | -0.044 | 0.000 | -0.040 | -0.004 | 0.217 | 0.455 | 0.285 |
| Eg(PBE; eV) | -0.242 | -0.154 | -0.225 | -0.041 | 1.000 | 0.234 | 0.311 | -0.005 | 0.505 | -0.000 | 0.050 | -0.112 | -0.238 | -0.168 |
| Hf(eV) | -0.769 | 0.179 | 0.181 | -0.115 | 0.234 | 1.000 | 0.747 | 0.155 | 0.000 | 0.101 | -0.126 | -0.094 | -0.511 | -0.579 |
| V(angstrom^3-atom) | -0.936 | 0.122 | 0.115 | -0.411 | 0.311 | 0.747 | 1.000 | 0.067 | 0.150 | 0.019 | -0.017 | -0.089 | -0.677 | -0.731 |
| a(angstrom) | 0.069 | 0.280 | 0.276 | -0.044 | -0.005 | 0.155 | 0.067 | 1.000 | 0.686 | 0.993 | -0.965 | 0.307 | 0.287 | 0.050 |
| c | 0.741 | 0.000 | 0.000 | 0.000 | 0.505 | 0.000 | 0.150 | 0.686 | 1.000 | -0.337 | 0.318 | 0.211 | -0.089 | -0.138 |
| d(angstrom) | 0.121 | 0.290 | 0.283 | -0.040 | -0.000 | 0.101 | 0.019 | 0.993 | -0.337 | 1.000 | -0.963 | 0.283 | 0.304 | 0.092 |
| delta(d)(angstrom) | -0.100 | -0.330 | -0.325 | -0.004 | 0.050 | -0.126 | -0.017 | -0.965 | 0.318 | -0.963 | 1.000 | -0.285 | -0.339 | -0.145 |
| phi(L)(eV) | 0.141 | -0.332 | -0.323 | 0.217 | -0.112 | -0.094 | -0.089 | 0.307 | 0.211 | 0.283 | -0.285 | 1.000 | 0.564 | -0.143 |
| phi(N)(eV) | 0.716 | -0.416 | -0.407 | 0.455 | -0.238 | -0.511 | -0.677 | 0.287 | -0.089 | 0.304 | -0.339 | 0.564 | 1.000 | 0.695 |
| phi(U)(eV) | 0.747 | -0.177 | -0.175 | 0.285 | -0.168 | -0.579 | -0.731 | 0.050 | -0.138 | 0.092 | -0.145 | -0.143 | 0.695 | 1.000 |
A simple visualization of nullity by column.
Nullity matrix is a data-dense display which lets you quickly visually pick out patterns in data completion.
| MXene | Eg(GW; eV) | Eg(PBE; eV) | phi(L)(eV) | phi(U)(eV) | d(angstrom) | delta(d)(angstrom) | V(angstrom^3-atom) | APF | EV(eV) | EC(eV) | phi(N)(eV) | a(angstrom) | c | Hf(eV) | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 0 | Y-Sc-C-Cl-OCN | 3.3956 | 0.8756 | 2.1713 | 6.3336 | 2.4302 | -0.0512 | 39.0152 | 0.3661 | -5.6868 | -4.8112 | 4.2524 | 3.5492 | 1 | -11.2764 |
| 1 | Y-Sc-C-Br-OCN | 3.3659 | 0.8269 | 2.1340 | 6.3941 | 2.4424 | -0.0634 | 39.7189 | 0.3667 | -5.4308 | -4.6039 | 4.2641 | 3.5791 | 1 | -10.6495 |
| 2 | Y-Sc-C-NCO-Cl | 3.3072 | 0.9249 | 3.3325 | 4.5681 | 2.4290 | -0.0500 | 39.0158 | 0.3661 | -4.0290 | -3.1041 | 3.9504 | 3.5509 | 1 | -12.6013 |
| 3 | Y-Sc-C-NCS-H | 3.2661 | 0.9253 | 2.9483 | 3.2084 | 2.4139 | -0.0349 | 38.2206 | 0.3786 | -3.2805 | -2.3552 | 3.0783 | 3.5155 | 1 | -9.9570 |
| 4 | Y-Sc-C-NCS-Cl | 3.2553 | 0.8181 | 3.0055 | 4.3419 | 2.4407 | -0.0617 | 39.6260 | 0.3724 | -3.1205 | -2.3024 | 3.6737 | 3.5785 | 1 | -10.5544 |
| 5 | Y-Sc-C-NCS-Br | 3.2203 | 0.7680 | 3.0963 | 4.2636 | 2.4515 | -0.0725 | 40.3097 | 0.3731 | -2.9442 | -2.1762 | 3.6799 | 3.6095 | 1 | -9.9877 |
| 6 | Y-Sc-C-NCO-OH | 2.9966 | 0.9139 | 0.6526 | 6.2834 | 2.4051 | -0.0261 | 32.8645 | 0.4286 | -3.5707 | -2.6568 | 3.4679 | 3.4847 | 1 | -6.5703 |
| 7 | Sc-Y-C-CN-F | 2.7883 | 1.1741 | 1.2069 | 5.3605 | 2.4149 | -0.0359 | 44.4892 | 0.3111 | -5.4273 | -4.2532 | 3.2837 | 3.5113 | 1 | -11.0755 |
| 8 | Y-Sc-C-NCS-OH | 2.7870 | 0.8005 | 1.6724 | 4.5636 | 2.4171 | -0.0381 | 33.4194 | 0.4358 | -2.0598 | -1.2593 | 3.1180 | 3.5120 | 1 | -13.9745 |
| 9 | Sc-Y-C-Cl-OCN | 2.6927 | 0.9012 | 2.1768 | 6.3305 | 2.4324 | -0.0534 | 39.2115 | 0.3642 | -5.6489 | -4.7477 | 4.2536 | 3.5580 | 1 | -11.3974 |
| MXene | Eg(GW; eV) | Eg(PBE; eV) | phi(L)(eV) | phi(U)(eV) | d(angstrom) | delta(d)(angstrom) | V(angstrom^3-atom) | APF | EV(eV) | EC(eV) | phi(N)(eV) | a(angstrom) | c | Hf(eV) | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 60 | Y-Y-C-Br-Br | 2.0275 | 0.8943 | 3.2331 | 3.2331 | 2.5568 | -0.0970 | 60.3739 | 0.2839 | -5.6758 | -4.7815 | 3.2331 | 3.7748 | 1 | -16.0562 |
| 61 | Y-Sc-C-Cl-OH | 2.0114 | 0.9195 | 0.5124 | 4.7867 | 2.4174 | -0.0384 | 44.6901 | 0.3135 | -2.8827 | -1.9632 | 2.6495 | 3.5177 | 1 | -10.9679 |
| 62 | Y-Sc-C-Br-OH | 1.9891 | 0.8708 | 0.5764 | 4.6679 | 2.4285 | -0.0496 | 45.4632 | 0.3143 | -2.6963 | -1.8255 | 2.6229 | 3.5491 | 1 | -10.3250 |
| 63 | Sc-Sc-C-CN-OH | 1.9271 | 1.0067 | -1.0978 | 5.8986 | 2.3090 | 0.2351 | 43.1242 | 0.3221 | -5.2973 | -4.2906 | 2.4003 | 3.3594 | 1 | -12.6746 |
| 64 | Y-Sc-C-H-OH | 1.8966 | 0.9658 | 0.4702 | 3.4435 | 2.3922 | -0.0132 | 43.0269 | 0.3189 | -2.6538 | -1.6880 | 1.9569 | 3.4540 | 1 | -10.5869 |
| 65 | Y-Sc-C-F-OH | 1.8565 | 0.9421 | 0.6179 | 3.7123 | 2.3915 | -0.0125 | 42.9717 | 0.3179 | -2.4807 | -1.5386 | 2.1651 | 3.4510 | 1 | -13.2859 |
| 66 | Sc-Y-C-Br-OH | 1.8312 | 0.8316 | 0.4785 | 4.6437 | 2.4349 | -0.0559 | 45.8995 | 0.3113 | -2.5465 | -1.7149 | 2.5612 | 3.5643 | 1 | -10.5032 |
| 67 | Sc-Y-C-Cl-OH | 1.7317 | 0.8981 | 0.4122 | 4.7798 | 2.4223 | -0.0434 | 54.0109 | 0.3113 | -2.7664 | -1.8683 | 2.5960 | 3.5318 | 1 | -11.0999 |
| 68 | Sc-Sc-C-Br-OH | 1.6075 | 0.7363 | -0.7587 | 4.1474 | 2.3315 | 0.2134 | 50.3116 | 0.2734 | -3.1444 | -2.4081 | 1.6943 | 3.4202 | 1 | -10.6379 |
| 69 | Sc-Sc-C-Cl-OH | 1.5867 | 0.8588 | -0.0658 | 4.2462 | 2.3164 | 0.2285 | 50.3116 | 0.2732 | -3.7941 | -2.9353 | 2.0902 | 3.3794 | 1 | -11.3372 |